SCHEMBL25355936

SCHEMBL25355936

CC(=O)NC(C)C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MME P08473 4/20 0.35
▸ CPA1 P15085 3/20 0.35
▸ ACE2 Q9BYF1 3/20 0.35
▸ ECE1 P42892 3/20 0.34
▸ TNF P01375 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ GNPAT O15228 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18921925 0.99 ACE (0.35) ACEALDH1A1MMECPA1ACE2
SCHEMBL20397511 0.90 KDM4E (0.43) ACEMMEECE1GNPAT
SCHEMBL20397515 0.90 KDM4E (0.43) ACEMMEECE1GNPAT
SCHEMBL6026424 0.89 ALOX15 (0.42) ALDH1A1TNFITGB3ITGA2BGNPAT
SCHEMBL61370 0.89 ALOX15 (0.42) ALDH1A1TNFITGB3ITGA2BGNPAT
SCHEMBL61371 0.89 ALOX15 (0.42) ALDH1A1TNFITGB3ITGA2BGNPAT
SCHEMBL30781182 0.89 ACE (0.35) ACEMMECPA1ACE2ECE1
SCHEMBL28515194 0.88 ACE (0.36) ACEMMECPA1ACE2ECE1
SCHEMBL7162439 0.88 ALOX15 (0.41) ALDH1A1TNFITGB3ITGA2BGNPAT
Water SCHEMBL8680771 0.88 ALOX15 (0.41) ALDH1A1TNFITGB3ITGA2BGNPAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139608-A1 Synergistic Compositions For Enhancing TFEB-Mediated Intracellular Clearance Celagenex Research (India) Pvt. Ltd. (IN) 2023-07-27 — — WO disclosed
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